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1135-12-2,MFCD00047861
Catalog No.:AA0008PR
1135-12-2 | 4-Benzylaniline
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1g
95%
in stock  
$21.00   $15.00
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5g
95%
in stock  
$47.00   $33.00
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25g
95%
in stock  
$156.00   $109.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0008PR
Chemical Name:
4-Benzylaniline
CAS Number:
1135-12-2
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
MDL Number:
MFCD00047861
IUPAC Name:
4-benzylaniline
InChI:
InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChI Key:
WDTRNCFZFQIWLM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
4-Benzylaniline 
4-Aminodiphenylmethane 
4-benzyl-aniline 
4-Benzylaniline # 
p-Aminodiphenylmethan 
PubChem18531 
4-(phenylmethyl)aniline 
4-Benzylaniline, 97% 
AC1Q51ZD 
Oprea1_296859 
Oprea1_734691 
KSC493I2N 
1135-12-2 
SCHEMBL202238 
Benzenamine,4-(phenylmethyl)- 
AC1L39K5 
ACMC-1B702 
CTK3J3426 
DTXSID50150423 
HMS1675O07 
ZINC1675835 
ANW-43064 
BBL022986 
Benzenamine, 4-(phenylmethyl)- 
SBB010088 
STL290412 
AKOS000530845 
AS05279 
CM11258 
CS-W020050 
MCULE-4811822419 
RTC-020539 
TRA0092471 
AC-20647 
4-Benzyl-phenylamine 
AJ-29413 
AK-25302 
BAS 03150718 
BP-10844 
BR-25302 
CJ-06193 
CJ-27360 
SC-45847 
TS-02558 
AB0034839 
4-benzylbenzenamine 
ST2411112 
TC-020539 
A1260 
AM20020227 
BB 0216419 
FT-0617575 
ST50269814 
X9060 
A24668 
C-5468 
MFCD00047861 
P-Aminodiphenyl methane; 4-Aminodiphenylmethane 
J-002973 
I14-15190 
F0001-0278 
InChI=1/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H 
4-benzylaniline hydrochloride 
4-BENZYLANILINE, HCL 
p-AMINODIPHENYL METHANE 
p-Toluidine, .alpha.-phenyl- 
C13-H13-N.Cl-H 
WDTRNCFZFQIWLM-UHFFFAOYSA-N 
C13H13N 
6317-57-3 
NSC43061 
CID136914 
NSC 43061 
alpha-Phenyl-p-toluidine hydrochloride 
4-BENZYL-PHENYLAMINE HYDROCHLORIDE 
Benzenamine, 4-(phenylmethyl)-, hydrochloride 
Benzenamine, 4-(phenylmethyl)-, hydrochloride (9CI) 
4-benzylphenylamine 
4-benzyl aniline 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene.

Journal: Physical chemistry chemical physics : PCCP 20090114

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